AG008HO5

849517-65-3 | 4-iodo-2H-1,3-benzodioxole

AG008HO5

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CAS Number	849517-65-3
Catalog Number	AG008HO5(AGN-PC-022I9R)
Chemical Name	4-iodo-2H-1,3-benzodioxole
IUPAC Name	4-iodo-1,3-benzodioxole
InChI	InChI=1S/C7H5IO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2
InChI Key	NEMFWXWQUHOSSH-UHFFFAOYSA-N
MDL Number	MFCD13152331
Molecular Formula	C7H5IO2
Molecular Weight	248.0179
SMILES	IC1=C2OCOC2=CC=C1
Synonyms	4-Iodobenzo[d][1,3]dioxole, 849517-65-3, 4-iodo-1,3-Benzodioxole, SCHEMBL8499147, CTK8B8233, DTXSID20596278, 3107AC, ANW-59731, MFCD13152331, ZINC40443191, 4-IODO-2H-1,3-BENZODIOXOLE, AKOS016003879, FCH1379168, LS40633, AK-38641, AS-50189, OR350496, AJ-102503, AX8163354, DB-076180, TC-148476, FT-0761433, C7H5IO2,

Complexity	129
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.933g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	248.019g/mol
Monoisotopic Mass	247.933g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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